HKC

6,7-dimethoxy-3-[4-(1H-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole

Created:2012-07-02
Last modified:  2012-07-02

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count47
Aromatic Bond Count22
2D diagram of HKC

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Chemical Component Summary

Name6,7-dimethoxy-3-[4-(1H-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole
Systematic Name (OpenEye OEToolkits)6,7-dimethoxy-3-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole
FormulaC19 H16 N6 O2
Molecular Weight360.369
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1nnnc1c5ccc(c4nnc3c2cc(OC)c(OC)cc2Cc34)cc5
SMILESCACTVS3.370COc1cc2Cc3c([nH]nc3c4ccc(cc4)c5[nH]nnn5)c2cc1OC
SMILESOpenEye OEToolkits1.7.6COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2
Canonical SMILESCACTVS3.370 COc1cc2Cc3c([nH]nc3c4ccc(cc4)c5[nH]nnn5)c2cc1OC
Canonical SMILESOpenEye OEToolkits1.7.6 COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2
InChIInChI1.03 InChI=1S/C19H16N6O2/c1-26-15-8-12-7-14-17(20-21-18(14)13(12)9-16(15)27-2)10-3-5-11(6-4-10)19-22-24-25-23-19/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23,24,25)
InChIKeyInChI1.03 NDAAHSGATZAMOW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL245605
PubChem 44443166
ChEMBL CHEMBL245605